mc-robinson Goto Github PK

altair

Declarative statistical visualization library for Python

benchmarking_platform_p23

Updated rdkit benchmarking platform of Riniker and Landrum

botorch

Bayesian optimization in PyTorch

chain_joiner

Package to fix chain breaks in PDB files

chimera_feature_extraction_code

Code to extract machine learning features from proteins using Chimera

chop_chain_joiner

Attempts to fix some problems in PDB files

choptools

Tools for using chop to preprocess a protein

college_football_recruiting

Stats on recruiting vs. on-field success for D1 teams

compstats

Code for a workshop on statistical interference using computational methods in Python.

courses

fast.ai Courses

covid-submissions-viz

T-SNE plotting of COVID submissions to covid.postera.ai/covid

deep-learning-book

Repository for "Introduction to Artificial Neural Networks and Deep Learning: A Practical Guide with Applications in Python"

deoldify

A Deep Learning based project for colorizing and restoring old images

dgl

Python package built to ease deep learning on graph, on top of existing DL frameworks.

drifter_ml

A machine learning testing framework for sklearn and pandas. The goal is to help folks assess whether things have changed over time.

fastai

The fastai deep learning library, plus lessons and and tutorials

fesetup

FESetup for automation of alchemical free energy simulation

gpytorch

A highly efficient and modular implementation of Gaussian Processes in PyTorch

handson-ml

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in python using Scikit-Learn and TensorFlow.

hockey

Hockey analytics

ivy_league_football_elo

Implemented an Elo Rating system using 538's methodology that I used to predict outcome of Ivy League football

jekyll-now

Build a Jekyll blog in minutes, without touching the command line.

ligpargen

Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.

ligpargen_to_amber_tests

mc-robinson.github.io

metathesis_report_supporting_info

Supporting Information for Ring Opening Metathesis Polymerization of a 7-oxabicyclo[2.2.1]hept-5-ene derivative using Grubbs’ Catalyst

ml_notebooks

mygcn

A simple implementation of a graph convolutional network (gcn) for chemistry

neural-fingerprint

Convolutional nets which can take molecular graphs of arbitrary size as input.

pandas_chain_joiner

attempts to use BioPandas to remediate some issues with PDB files